Published August 1998
| Version v1
Journal article
First-principles calculations of Moessbauer hyperfine parameters for solids and large molecules
Creators
- 1. Centro Brasileiro de Pesquisas Fisicas (Brazil)
- 2. Northwestern University, Department of Physics and Materials Research Center (United States)
- 3. Institute of Solid-State Physics, Academia Sinica (China)
Description
Electronic structure calculations based on density functional theory were performed for solids and large molecules. The solids were represented by clusters of 60-100 atoms embedded in the potential of the external crystal. Magnetic moments and Moessbauer hyperfine parameters were derived
Additional details
Identifiers
Publishing Information
- Journal Title
- Hyperfine Interactions
- Journal Volume
- 113
- Journal Issue
- 1-4
- Journal Page Range
- p. 25-36
- ISSN
- 0304-3843
- CODEN
- HYINDN
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 40058550
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ATOMS; CRYSTALS; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; MAGNETIC MOMENTS; MOLECULES; SOLIDS
- Descriptors DEC
- CALCULATION METHODS; VARIATIONAL METHODS
Optional Information
- Copyright
- Copyright (c) 1998 Kluwer Academic Publishers